@MOLECULE aceglutamide 25 24 0 0 0 SMALL USER_CHARGES @ATOM 1 OXT -1.1163 -2.2110 1.0720 O.3 1 GLN11111111 -0.5813 2 O 0.0126 -2.8233 -0.7411 O.2 1 GLN11111111 -0.4800 3 OE1 3.1689 1.1743 -0.9808 O.2 1 GLN11111111 -0.5159 4 O -2.5581 1.4830 -1.2003 O.2 0 UNK0 -0.5233 5 N -1.5391 0.2405 0.3953 N.am 1 GLN1 -0.6187 6 NE2 3.7971 0.7670 1.1331 N.am 1 GLN1 -0.7082 7 CA -0.7509 -0.5095 -0.5774 C.3 1 GLN1 0.0328 8 CB 0.6437 0.1075 -0.8179 C.3 1 GLN1 -0.2743 9 CG 1.5264 0.1089 0.4314 C.3 1 GLN1 -0.3615 10 C -0.5642 -1.9562 -0.1448 C.2 1 GLN1 0.6002 11 CD 2.8698 0.7252 0.1043 C.2 1 GLN1 0.5989 12 C -2.4260 1.2192 -0.0249 C.2 0 UNK0 0.6178 13 C -3.1714 1.9075 1.0846 C.3 0 UNK0 -0.5314 14 HA -1.3048 -0.5137 -1.5703 H 1 GLN1 0.2043 15 HB1 0.5204 1.1477 -1.1965 H 1 GLN1 0.1855 16 HB2 1.1533 -0.4325 -1.6487 H 1 GLN1 0.1819 17 HG1 1.0366 0.6819 1.2441 H 1 GLN1 0.1666 18 HG2 1.6691 -0.9229 0.8147 H 1 GLN1 0.1669 19 H -1.4567 -0.0241 1.3639 H 1 GLN1 0.3242 20 H -3.6418 2.8281 0.7007 H 0 UNK0 0.1900 21 H -3.9806 1.2801 1.4866 H 0 UNK0 0.1787 22 H -2.5215 2.1927 1.9206 H 0 UNK0 0.1696 23 HE21 4.7059 1.1541 0.9653 H 1 GLN1 0.3139 24 HE22 3.6263 0.3992 2.0387 H 1 GLN1 0.2996 25 HXT -1.0463 -3.1577 1.3524 H 1 GLN1 0.3638 @BOND 1 16 8 1 2 14 7 1 3 4 12 2 4 15 8 1 5 3 11 2 6 8 7 1 7 8 9 1 8 2 10 2 9 7 10 1 10 7 5 1 11 10 1 1 12 12 5 am 13 12 13 1 14 11 9 1 15 11 6 am 16 5 19 1 17 9 18 1 18 9 17 1 19 20 13 1 20 23 6 1 21 1 25 1 22 13 21 1 23 13 22 1 24 6 24 1